Information card for entry 7715310

Structure parameters

• Formula: C18 H23 P Se
• Calculated formula: C18 H23 P Se
• SMILES: [Se]=P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)₂A-EPMes₂]₂ (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes₂].
• Authors of publication: Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5711 - 5720
• a: 8.1648 ± 0.0017 Å
• b: 8.5743 ± 0.0016 Å
• c: 12.161 ± 0.002 Å
• α: 82.479 ± 0.005°
• β: 77.391 ± 0.005°
• γ: 89.456 ± 0.005°
• Cell volume: 823.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No